Geometry & MOs

Info

ID:	407659
PubChem CID:	135080409
Reduced:	BNO2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	226.135765
ΔH_f, kcal/mol:	-173.03
Dipole, Da:	1.51
IP(EA), eV:	-8.35(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylidene-1-phenylbut-3-en-1-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=C)CN(CC)CC

DOS

IR

Vibrations